CID 3075941

Benzamide, 2-(4-((1,1-dimethylethyl)amino)butoxy)-n-1h-indol-4-yl-, (e)-2-butenedioate

Structural Information

Molecular Formula
C23H29N3O2
SMILES
CC(C)(C)NCCCCOC1=CC=CC=C1C(=O)NC2=CC=CC3=C2C=CN3
InChI
InChI=1S/C23H29N3O2/c1-23(2,3)25-14-6-7-16-28-21-12-5-4-9-18(21)22(27)26-20-11-8-10-19-17(20)13-15-24-19/h4-5,8-13,15,24-25H,6-7,14,16H2,1-3H3,(H,26,27)
InChIKey
PVDMLFJFFZEBNB-UHFFFAOYSA-N
Compound name
2-[4-(tert-butylamino)butoxy]-N-(1H-indol-4-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

379.22598 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.233256 194.1
[M+Na]+ 402.215198 198.7
[M-H]- 378.218704 198.7
[M+NH4]+ 397.259803 206.0
[M+K]+ 418.189138 192.9
[M+H-H2O]+ 362.223240 185.1
[M+HCOO]- 424.224181 214.5
[M+CH3COO]- 438.239831 221.8
[M+Na-2H]- 400.200646 198.0
[M]+ 379.22543142 196.1
[M]- 379.22652858 196.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe